Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

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GLSQGVEPDIGQTYFEESRINQD
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GLSQGVEPDIGQTYFEESRINQD

Chain assignments

Content subtype: combined_18481_2lti.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 141
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         3	SER	HG	4.963
         13	THR	HG1	4.904
         14	TYR	HH	9.12
         18	SER	HG	5.053
         19	ARG	HH11	7.424
         19	ARG	HH12	7.424
         19	ARG	HH21	7.424
         19	ARG	HH22	7.424

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	136	132	97.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	47	97.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	88	85	96.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: undefined
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 8.7%
   • Total number of restraints: 8
     • Intra-residue restraints, i = j : 1
     • Long range restraints, | i - j | >= 5 : 5
     • Total hydrogen bond restraints: 2
   • Weight of restraints: 1.0 (8)
     • Intra-residue restraints, i = j : 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (5)
     • Total hydrogen bond restraints: 1.0 (2)
   • Potential type of restraints: upper-bound-parabolic (8)
     • Intra-residue restraints, i = j : upper-bound-parabolic (1)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (5)
     • Total hydrogen bond restraints: upper-bound-parabolic (2)
   • Range of distance target values: 1.33, 3.17 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: OK
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 100.0%

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     • Total number of restraints: 190
       • Intra-residue restraints, i = j : 59
       • Sequential restraints, | i - j | = 1 : 89
         • Backbone-backbone: 31
         • Backbone-side chain: 43
         • Side chain-side chain: 14
       • Medium range restraints, 1 < | i - j | < 5 : 18
         • Backbone-backbone: 3
         • Backbone-side chain: 3
         • Side chain-side chain: 12
       • Long range restraints, | i - j | >= 5 : 24
     • Weight of restraints: 1.0 (190)
       • Intra-residue restraints, i = j : 1.0 (59)
       • Sequential restraints, | i - j | = 1 : 1.0 (89)
         • Backbone-backbone: 1.0 (31)
         • Backbone-side chain: 1.0 (43)
         • Side chain-side chain: 1.0 (14)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (18)
         • Backbone-backbone: 1.0 (3)
         • Backbone-side chain: 1.0 (3)
         • Side chain-side chain: 1.0 (12)
       • Long range restraints, | i - j | >= 5 : 1.0 (24)
     • Potential type of restraints: upper-bound-parabolic (190)
       • Intra-residue restraints, i = j : upper-bound-parabolic (59)
       • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (89)
         • Backbone-backbone: upper-bound-parabolic (31)
         • Backbone-side chain: upper-bound-parabolic (43)
         • Side chain-side chain: upper-bound-parabolic (14)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (18)
         • Backbone-backbone: upper-bound-parabolic (3)
         • Backbone-side chain: upper-bound-parabolic (3)
         • Side chain-side chain: upper-bound-parabolic (12)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (24)
     • Range of distance target values: 2.64, 6.05 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
       • Chain_ID_1: A - Chain_ID_2: A

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 43.5%
   • Total number of restraints: 5
     • Phi angle constraints: 5
   • Total number of restraints per polymer type: 5
     • Protein: 5
   • Weight of restraints: 1.0 (5)
     • Phi angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (5)
     • Phi angle constraints: square-well-parabolic (5)
   • Dihedral angle restraints per residue